AC1MSTWS
benzyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: Oprea1_165289|Oprea1_666055|AG-690/33471017|benzyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate|A1459/0064315|SR-01000399577-1|benzyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate|benzyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate|phenylmethyl 4-[4-(ethyloxy)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H31NO4 |
|---|---|
| Molecular Weight | 445.2253 g/mol |
| LogP | 5.4327 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.2253 |
| Monoisotopic Mass | 445.2253 |
| Heavy Atoms | 33 |
| Complexity | 1110.3462 |
Chemical Identifiers
| CAS Number | 294669-25-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C |
Product Overview
AC1MSTWS (CAS 294669-25-3), with molecular formula C28H31NO4 and molecular weight 445.2253 g/mol. IUPAC: benzyl 4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
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